2-[(3,5-dichloro-4-methoxybenzoyl)amino]-2-methylpentanoic acid

C14H17Cl2NO4 — CID 43619029

IUPAC2-[(3,5-dichloro-4-methoxybenzoyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1cc(Cl)c(OC)c(Cl)c1)C(=O)O
InChIInChI=1S/C14H17Cl2NO4/c1-4-5-14(2,13(19)20)17-12(18)8-6-9(15)11(21-3)10(16)7-8/h6-7H,4-5H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyHADRUVPHYLGEGU-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.38
Rot. Bonds6

About 2-[(3,5-dichloro-4-methoxybenzoyl)amino]-2-methylpentanoic acid

2-[(3,5-dichloro-4-methoxybenzoyl)amino]-2-methylpentanoic acid (PubChem CID 43619029) has the molecular formula C14H17Cl2NO4 and a molecular weight of 334.20 g/mol. Its IUPAC name is 2-[(3,5-dichloro-4-methoxybenzoyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3,5-dichloro-4-methoxybenzoyl)amino]-2-methylpentanoic acid
PubChem CID43619029
Molecular FormulaC14H17Cl2NO4
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC Name2-[(3,5-dichloro-4-methoxybenzoyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1cc(Cl)c(OC)c(Cl)c1)C(=O)O
InChIInChI=1S/C14H17Cl2NO4/c1-4-5-14(2,13(19)20)17-12(18)8-6-9(15)11(21-3)10(16)7-8/h6-7H,4-5H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyHADRUVPHYLGEGU-UHFFFAOYSA-N
XLogP3.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dihydroxybenzoyl)amino]-2-methylpentanoic acid
CID 107702413
2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 120686259
2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic acid
CID 82832526
2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid
CID 43618517
3,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide
CID 65112037
(2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-2-methylpentanoic acid
CID 97315366
2-[(4-methoxythiophene-2-carbonyl)amino]-2-methylpentanoic acid
CID 81118104
2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid
CID 43354480
methyl 2-[(3,5-dibromobenzoyl)amino]-2-methylpentanoate
CID 107973836
N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide
CID 51149799
2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid
CID 43631004
methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate
CID 115694595

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-4-methoxybenzoyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(3,5-dichloro-4-methoxybenzoyl)amino]-2-methylpentanoic acid (CID 43619029) is 2-[(3,5-dichloro-4-methoxybenzoyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(3,5-dichloro-4-methoxybenzoyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(3,5-dichloro-4-methoxybenzoyl)amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)c1cc(Cl)c(OC)c(Cl)c1)C(=O)O.
What is the InChIKey of 2-[(3,5-dichloro-4-methoxybenzoyl)amino]-2-methylpentanoic acid?
The InChIKey is HADRUVPHYLGEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO4/c1-4-5-14(2,13(19)20)17-12(18)8-6-9(15)11(21-3)10(16)7-8/h6-7H,4-5H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(3,5-dichloro-4-methoxybenzoyl)amino]-2-methylpentanoic acid?
2-[(3,5-dichloro-4-methoxybenzoyl)amino]-2-methylpentanoic acid has a molecular weight of 334.20 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-4-methoxybenzoyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 43619029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).